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Phenols

Aromatic organic compounds that consist of a phenyl functional group (−C6H5) bonded to a hydroxyl functional group (−OH). Includes compounds with more substitutions and derivatives.
1-hydroxy-2-unsubstituted benzenoids (19)
1-hydroxy-4-unsubstituted benzenoids (18)
4-alkoxyphenols (4)
Aminophenols (12)
Benzenediols (31)
Cresols (25)
Halophenols (19)
Tyrosols and derivatives (2)

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Guaiacol, 99+%

CAS: 90-05-1 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 InChI Key: LHGVFZTZFXWLCP-UHFFFAOYSA-N Synonym: guaiacol,o-methoxyphenol,2-hydroxyanisole,phenol, 2-methoxy,pyrocatechol monomethyl ether,methylcatechol,guaiastil,guaicol,1-hydroxy-2-methoxybenzene,pyroguaiac acid PubChem CID: 460 ChEBI: CHEBI:28591 IUPAC Name: 2-methoxyphenol SMILES: COC1=CC=CC=C1O

EDGE
PubChem CID 460
CAS 90-05-1
Molecular Weight (g/mol) 124.14
ChEBI CHEBI:28591
SMILES COC1=CC=CC=C1O
Synonym guaiacol,o-methoxyphenol,2-hydroxyanisole,phenol, 2-methoxy,pyrocatechol monomethyl ether,methylcatechol,guaiastil,guaicol,1-hydroxy-2-methoxybenzene,pyroguaiac acid
IUPAC Name 2-methoxyphenol
InChI Key LHGVFZTZFXWLCP-UHFFFAOYSA-N
Molecular Formula C7H8O2
2
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4-Hydroxybenzoic Acid, 99+%

CAS: 99-96-7 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00002547 InChI Key: FJKROLUGYXJWQN-UHFFFAOYSA-N Synonym: p-hydroxybenzoic acid,4-carboxyphenol,benzoic acid, 4-hydroxy,p-salicylic acid,benzoic acid, p-hydroxy,para-hydroxybenzoic acid,4-hydroxybenzoesaeure,p-carboxyphenol,4-hydroxy benzoic acid,p-oxybenzoesaure german PubChem CID: 135 ChEBI: CHEBI:30763 IUPAC Name: 4-hydroxybenzoic acid SMILES: OC(=O)C1=CC=C(O)C=C1

EDGE
PubChem CID 135
CAS 99-96-7
Molecular Weight (g/mol) 138.12
ChEBI CHEBI:30763
MDL Number MFCD00002547
SMILES OC(=O)C1=CC=C(O)C=C1
Synonym p-hydroxybenzoic acid,4-carboxyphenol,benzoic acid, 4-hydroxy,p-salicylic acid,benzoic acid, p-hydroxy,para-hydroxybenzoic acid,4-hydroxybenzoesaeure,p-carboxyphenol,4-hydroxy benzoic acid,p-oxybenzoesaure german
IUPAC Name 4-hydroxybenzoic acid
InChI Key FJKROLUGYXJWQN-UHFFFAOYSA-N
Molecular Formula C7H6O3
3
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L(-)-Phenylephrine hydrochloride, 99%

CAS: 61-76-7 Molecular Formula: C9H14ClNO2 Molecular Weight (g/mol): 203.67 MDL Number: MFCD00012605,MFCD00044749 InChI Key: OCYSGIYOVXAGKQ-UHFFFAOYNA-N Synonym: phenylephrine hydrochloride,phenylephrine hcl,l-phenylephrine hydrochloride,metaoxedrine chloride,neosympatol,synethenate,almefrin,consdrin,emagrin,fenilfar PubChem CID: 5284443 ChEBI: CHEBI:8094 IUPAC Name: 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride SMILES: [H+].[Cl-].CNCC(O)C1=CC=CC(O)=C1

EDGE
PubChem CID 5284443
CAS 61-76-7
Molecular Weight (g/mol) 203.67
ChEBI CHEBI:8094
MDL Number MFCD00012605,MFCD00044749
SMILES [H+].[Cl-].CNCC(O)C1=CC=CC(O)=C1
Synonym phenylephrine hydrochloride,phenylephrine hcl,l-phenylephrine hydrochloride,metaoxedrine chloride,neosympatol,synethenate,almefrin,consdrin,emagrin,fenilfar
IUPAC Name 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
InChI Key OCYSGIYOVXAGKQ-UHFFFAOYNA-N
Molecular Formula C9H14ClNO2
4
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4-Nitrophenol, 99%

CAS: 100-02-7 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00007331 InChI Key: BTJIUGUIPKRLHP-UHFFFAOYSA-N Synonym: p-nitrophenol,phenol, 4-nitro,paranitrophenol,niphen,4-hydroxynitrobenzene,p-hydroxynitrobenzene,phenol, p-nitro,mononitrophenol,paranitrofenol,paranitrofenolo PubChem CID: 980 ChEBI: CHEBI:16836 IUPAC Name: 4-nitrophenol SMILES: OC1=CC=C(C=C1)[N+]([O-])=O

PubChem CID 980
CAS 100-02-7
Molecular Weight (g/mol) 139.11
ChEBI CHEBI:16836
MDL Number MFCD00007331
SMILES OC1=CC=C(C=C1)[N+]([O-])=O
Synonym p-nitrophenol,phenol, 4-nitro,paranitrophenol,niphen,4-hydroxynitrobenzene,p-hydroxynitrobenzene,phenol, p-nitro,mononitrophenol,paranitrofenol,paranitrofenolo
IUPAC Name 4-nitrophenol
InChI Key BTJIUGUIPKRLHP-UHFFFAOYSA-N
Molecular Formula C6H5NO3
5

4-Nonylphenol, 99%, mixture of isomers

CAS: 84852-15-3 MDL Number: MFCD00002396 InChI Key: SNQQPOLDUKLAAF-UHFFFAOYSA-N Synonym: phenol, 2-nonyl,nonyl phenol,o-nonylphenol,nonyl,phenol,nonyl,2-n-nonyl-phenol,ortho-n-nonyl-phenol,acmc-209t6o,bidd:er0079,nonylphenol, mixture of isomers PubChem CID: 67296 IUPAC Name: 2-nonylphenol SMILES: CCCCCCCCCC1=CC=CC=C1O

PubChem CID 67296
CAS 84852-15-3
MDL Number MFCD00002396
SMILES CCCCCCCCCC1=CC=CC=C1O
Synonym phenol, 2-nonyl,nonyl phenol,o-nonylphenol,nonyl,phenol,nonyl,2-n-nonyl-phenol,ortho-n-nonyl-phenol,acmc-209t6o,bidd:er0079,nonylphenol, mixture of isomers
IUPAC Name 2-nonylphenol
InChI Key SNQQPOLDUKLAAF-UHFFFAOYSA-N
6

2-(4-Ethoxyphenyl)ethanol, 98%

CAS: 22545-15-9 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00016570 InChI Key: CNMVSNTVPZWQMI-UHFFFAOYSA-N Synonym: 2-4-ethoxyphenyl ethanol,p-ethoxyphenethyl alcohol,4-2-hydroxyethyl phenetol,4-ethoxybenzeneethanol,4-ethoxy-benzeneethanol,4-ethoxyphenethyl alcohol,benzeneethanol,4-ethoxy,acmc-1cit4,benzeneethanol, 4-ethoxy,2-4-ethoxyphenyl ethan-1-ol PubChem CID: 89752 IUPAC Name: 2-(4-ethoxyphenyl)ethanol SMILES: CCOC1=CC=C(CCO)C=C1

PubChem CID 89752
CAS 22545-15-9
Molecular Weight (g/mol) 166.22
MDL Number MFCD00016570
SMILES CCOC1=CC=C(CCO)C=C1
Synonym 2-4-ethoxyphenyl ethanol,p-ethoxyphenethyl alcohol,4-2-hydroxyethyl phenetol,4-ethoxybenzeneethanol,4-ethoxy-benzeneethanol,4-ethoxyphenethyl alcohol,benzeneethanol,4-ethoxy,acmc-1cit4,benzeneethanol, 4-ethoxy,2-4-ethoxyphenyl ethan-1-ol
IUPAC Name 2-(4-ethoxyphenyl)ethanol
InChI Key CNMVSNTVPZWQMI-UHFFFAOYSA-N
Molecular Formula C10H14O2
7

4-Bromoresorcinol, 98%

CAS: 6626-15-9 Molecular Formula: C6H5BrO2 Molecular Weight (g/mol): 189.01 MDL Number: MFCD00002272 InChI Key: MPCCNXGZCOXPMG-UHFFFAOYSA-N Synonym: 4-bromoresorcinol,1-bromo-2,4-dihydroxybenzene,1,3-benzenediol, 4-bromo,4-bromo-1,3-dihydroxybenzene,4-bromo-benzene-1,3-diol,4-bromo-resorcinol,resorcinol, 4-bromo,acmc-209nuf,2,4-dihydroxybromobenzene PubChem CID: 81105 IUPAC Name: 4-bromobenzene-1,3-diol SMILES: C1=CC(=C(C=C1O)O)Br

PubChem CID 81105
CAS 6626-15-9
Molecular Weight (g/mol) 189.01
MDL Number MFCD00002272
SMILES C1=CC(=C(C=C1O)O)Br
Synonym 4-bromoresorcinol,1-bromo-2,4-dihydroxybenzene,1,3-benzenediol, 4-bromo,4-bromo-1,3-dihydroxybenzene,4-bromo-benzene-1,3-diol,4-bromo-resorcinol,resorcinol, 4-bromo,acmc-209nuf,2,4-dihydroxybromobenzene
IUPAC Name 4-bromobenzene-1,3-diol
InChI Key MPCCNXGZCOXPMG-UHFFFAOYSA-N
Molecular Formula C6H5BrO2
8

3,5-Dihydroxytoluene, 99%

CAS: 504-15-4 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00002291 InChI Key: OIPPWFOQEKKFEE-UHFFFAOYSA-N Synonym: orcinol,3,5-dihydroxytoluene,5-methylresorcinol,1,3-dihydroxy-5-methylbenzene,orcin,5-methyl-1,3-benzenediol,5-methylresorcin,3-hydroxy-5-methylphenol,3,5-toluenediol,1,3-benzenediol, 5-methyl PubChem CID: 10436 ChEBI: CHEBI:16536 IUPAC Name: 5-methylbenzene-1,3-diol SMILES: CC1=CC(O)=CC(O)=C1

PubChem CID 10436
CAS 504-15-4
Molecular Weight (g/mol) 124.14
ChEBI CHEBI:16536
MDL Number MFCD00002291
SMILES CC1=CC(O)=CC(O)=C1
Synonym orcinol,3,5-dihydroxytoluene,5-methylresorcinol,1,3-dihydroxy-5-methylbenzene,orcin,5-methyl-1,3-benzenediol,5-methylresorcin,3-hydroxy-5-methylphenol,3,5-toluenediol,1,3-benzenediol, 5-methyl
IUPAC Name 5-methylbenzene-1,3-diol
InChI Key OIPPWFOQEKKFEE-UHFFFAOYSA-N
Molecular Formula C7H8O2
9

Methyl 4-hydroxyphenylacetate, 98+%

CAS: 14199-15-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002387 InChI Key: XGDZEDRBLVIUMX-UHFFFAOYSA-N Synonym: methyl 4-hydroxyphenylacetate,methyl 2-4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid methyl ester,benzeneacetic acid, 4-hydroxy-, methyl ester,methyl 4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid methl ester,acetic acid, p-hydroxyphenyl-, methyl ester,p-hydroxyphenylacetic acid methyl ester,4-hydroxybenzeneacetic acid methyl ester,4-hydroxy-phenyl-acetic acid methyl ester PubChem CID: 518900 ChEBI: CHEBI:68078 IUPAC Name: methyl 2-(4-hydroxyphenyl)acetate SMILES: COC(=O)CC1=CC=C(C=C1)O

PubChem CID 518900
CAS 14199-15-6
Molecular Weight (g/mol) 166.176
ChEBI CHEBI:68078
MDL Number MFCD00002387
SMILES COC(=O)CC1=CC=C(C=C1)O
Synonym methyl 4-hydroxyphenylacetate,methyl 2-4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid methyl ester,benzeneacetic acid, 4-hydroxy-, methyl ester,methyl 4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid methl ester,acetic acid, p-hydroxyphenyl-, methyl ester,p-hydroxyphenylacetic acid methyl ester,4-hydroxybenzeneacetic acid methyl ester,4-hydroxy-phenyl-acetic acid methyl ester
IUPAC Name methyl 2-(4-hydroxyphenyl)acetate
InChI Key XGDZEDRBLVIUMX-UHFFFAOYSA-N
Molecular Formula C9H10O3
11

Butylated Hydroxyanisole, 98.5%, MP Biomedicals™

CAS: 25013-16-5 Molecular Formula: C11H16O2 Molecular Weight (g/mol): 180.247 InChI Key: MRBKEAMVRSLQPH-UHFFFAOYSA-N Synonym: 3-tert-butyl-4-hydroxyanisole,4-hydroxy-3-tert-butylanisole,2-tert-butyl-4-methoxyphenol,3-bha,4-methoxy-2-tert-butylphenol,3-t-butyl-4-hydroxyanisole,phenol, 2-1,1-dimethylethyl-4-methoxy,2-1,1-dimethylethyl-4-methoxyphenol,2-butyl-4-hydroxyanisole,phenol, 2-tert-butyl-4-methoxy PubChem CID: 8456 ChEBI: CHEBI:76358 IUPAC Name: 2-tert-butyl-4-methoxyphenol SMILES: CC(C)(C)C1=C(C=CC(=C1)OC)O

PubChem CID 8456
CAS 25013-16-5
Molecular Weight (g/mol) 180.247
ChEBI CHEBI:76358
SMILES CC(C)(C)C1=C(C=CC(=C1)OC)O
Synonym 3-tert-butyl-4-hydroxyanisole,4-hydroxy-3-tert-butylanisole,2-tert-butyl-4-methoxyphenol,3-bha,4-methoxy-2-tert-butylphenol,3-t-butyl-4-hydroxyanisole,phenol, 2-1,1-dimethylethyl-4-methoxy,2-1,1-dimethylethyl-4-methoxyphenol,2-butyl-4-hydroxyanisole,phenol, 2-tert-butyl-4-methoxy
IUPAC Name 2-tert-butyl-4-methoxyphenol
InChI Key MRBKEAMVRSLQPH-UHFFFAOYSA-N
Molecular Formula C11H16O2
13

3-Aminophenol, 99%

CAS: 591-27-5 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD00007786 InChI Key: CWLKGDAVCFYWJK-UHFFFAOYSA-N Synonym: m-aminophenol,m-hydroxyaniline,3-hydroxyaniline,phenol, 3-amino,1-amino-3-hydroxybenzene,3-amino-1-hydroxybenzene,fouramine eg,futramine eg,fourrine eg,pelagol eg PubChem CID: 11568 ChEBI: CHEBI:28924 IUPAC Name: 3-aminophenol SMILES: NC1=CC=CC(O)=C1

PubChem CID 11568
CAS 591-27-5
Molecular Weight (g/mol) 109.13
ChEBI CHEBI:28924
MDL Number MFCD00007786
SMILES NC1=CC=CC(O)=C1
Synonym m-aminophenol,m-hydroxyaniline,3-hydroxyaniline,phenol, 3-amino,1-amino-3-hydroxybenzene,3-amino-1-hydroxybenzene,fouramine eg,futramine eg,fourrine eg,pelagol eg
IUPAC Name 3-aminophenol
InChI Key CWLKGDAVCFYWJK-UHFFFAOYSA-N
Molecular Formula C6H7NO
14

2,6-Dichlorophenol, 99%

CAS: 87-65-0 Molecular Formula: C6H4Cl2O Molecular Weight (g/mol): 163.00 MDL Number: MFCD00002176 InChI Key: HOLHYSJJBXSLMV-UHFFFAOYSA-N Synonym: phenol, 2,6-dichloro,2,6-dichlorfenol,2,6-dichlorphenol,rcra waste number u082,2,6-dichloro-phenol,2,6-dichlorfenol czech,unii-q7e9k52w7e,2,6 dichlorophenol,ccris 2511,2,6-dcp PubChem CID: 6899 ChEBI: CHEBI:28457 IUPAC Name: 2,6-dichlorophenol SMILES: OC1=C(Cl)C=CC=C1Cl

PubChem CID 6899
CAS 87-65-0
Molecular Weight (g/mol) 163.00
ChEBI CHEBI:28457
MDL Number MFCD00002176
SMILES OC1=C(Cl)C=CC=C1Cl
Synonym phenol, 2,6-dichloro,2,6-dichlorfenol,2,6-dichlorphenol,rcra waste number u082,2,6-dichloro-phenol,2,6-dichlorfenol czech,unii-q7e9k52w7e,2,6 dichlorophenol,ccris 2511,2,6-dcp
IUPAC Name 2,6-dichlorophenol
InChI Key HOLHYSJJBXSLMV-UHFFFAOYSA-N
Molecular Formula C6H4Cl2O
15
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2-Aminophenol, 99%

CAS: 95-55-6 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD00007690 InChI Key: CDAWCLOXVUBKRW-UHFFFAOYSA-N Synonym: o-aminophenol,o-hydroxyaniline,2-hydroxyaniline,phenol, 2-amino,2-amino-1-hydroxybenzene,fouramine op,benzofur gg,pelagol grey gg,pelagol 3ga,nako yellow 3ga PubChem CID: 5801 ChEBI: CHEBI:18112 IUPAC Name: 2-aminophenol SMILES: C1=CC=C(C(=C1)N)O

PubChem CID 5801
CAS 95-55-6
Molecular Weight (g/mol) 109.13
ChEBI CHEBI:18112
MDL Number MFCD00007690
SMILES C1=CC=C(C(=C1)N)O
Synonym o-aminophenol,o-hydroxyaniline,2-hydroxyaniline,phenol, 2-amino,2-amino-1-hydroxybenzene,fouramine op,benzofur gg,pelagol grey gg,pelagol 3ga,nako yellow 3ga
IUPAC Name 2-aminophenol
InChI Key CDAWCLOXVUBKRW-UHFFFAOYSA-N
Molecular Formula C6H7NO